4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-N-(2-methoxyphenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C19H31N4O3+ MolecularWeight: 363.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C19H30N4O3/c1-19(2,3)21-17(24)14-22-10-7-11-23(13-12-22)18(25)20-15-8-5-6-9-16(15)26-4/h5-6,8-9H,7,10-14H2,1-4H3,(H,20,25)(H,21,24)/p+1